[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol

C10H13FN2O — CID 129413791

IUPAC[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccnc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c11-10-5-9(1-3-12-10)13-4-2-8(6-13)7-14/h1,3,5,8,14H,2,4,6-7H2/t8-/m1/s1
InChIKeyCYUIIPAPBHCWIW-MRVPVSSYSA-N
MW196.22 g/mol
LogP1.04
Rot. Bonds2

About [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol

[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol (PubChem CID 129413791) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
PubChem CID129413791
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccnc(F)c2)C1
InChIInChI=1S/C10H13FN2O/c11-10-5-9(1-3-12-10)13-4-2-8(6-13)7-14/h1,3,5,8,14H,2,4,6-7H2/t8-/m1/s1
InChIKeyCYUIIPAPBHCWIW-MRVPVSSYSA-N
XLogP1.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol (CID 129413791) is [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(c2ccnc(F)c2)C1.
What is the InChIKey of [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol?
The InChIKey is CYUIIPAPBHCWIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-10-5-9(1-3-12-10)13-4-2-8(6-13)7-14/h1,3,5,8,14H,2,4,6-7H2/t8-/m1/s1.
What are the key properties of [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol?
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol has a molecular weight of 196.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129413791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).